1,8-Octadiyl Bismethanethiosulfonate
TL;DR: 1,8-Octadiyl Bismethanethiosulfonate (CAS 4356-71-2) is a chemical compound with molecular formula C10H22O4S4 and molecular weight 334.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,8-bis(methylsulfonylsulfanyl)octane
Also Known As: 1,8-Octadiyl Bismethanethiosulfonate, 1,8-bis(methylsulfonylsulfanyl)octane, 1,8-OctadiylBismethanethiosulfonate, S,S'-Octane-1,8-diyl dimethanesulfonothioate, Methanesulfonothioic acid 1,8-octanediyl ester
| Molecular Formula | C10H22O4S4 |
|---|---|
| Molecular Weight | 334.04 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 334.0401 |
| Heavy Atoms | 18 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 4356-71-2 |
|---|---|
| SMILES | CS(=O)(=O)SCCCCCCCCSS(=O)(=O)C |
| InChIKey | QJELQMUTDNOWHY-UHFFFAOYSA-N |
Product Overview
1,8-Octadiyl Bismethanethiosulfonate (CAS 4356-71-2), with molecular formula C10H22O4S4 and molecular weight 334.04 g/mol. IUPAC: 1,8-bis(methylsulfonylsulfanyl)octane.
Chemical Property Profile of 1,8-Octadiyl Bismethanethiosulfonate
Property Insights of 1,8-Octadiyl Bismethanethiosulfonate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,8-Octadiyl Bismethanethiosulfonate. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,8-Octadiyl Bismethanethiosulfonate. Following Lipinski's Rule of Five, 1,8-Octadiyl Bismethanethiosulfonate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,8-Octadiyl Bismethanethiosulfonate?
The CAS number of 1,8-Octadiyl Bismethanethiosulfonate is 4356-71-2.
What is the molecular formula of 1,8-Octadiyl Bismethanethiosulfonate?
The molecular formula of 1,8-Octadiyl Bismethanethiosulfonate is C10H22O4S4.
What is the molecular weight of 1,8-Octadiyl Bismethanethiosulfonate?
The molecular weight of 1,8-Octadiyl Bismethanethiosulfonate is 334.04 g/mol.
Where can I buy 1,8-Octadiyl Bismethanethiosulfonate?
You can request a quote for 1,8-Octadiyl Bismethanethiosulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,8-Octadiyl Bismethanethiosulfonate?
Yes, KEHONG BIO provides custom synthesis services for 1,8-Octadiyl Bismethanethiosulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.